4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide

C11H16N2O4S2 — CID 47291841

IUPAC4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S2/c1-13(8-9-2-3-9)19(16,17)11-6-4-10(5-7-11)18(12,14)15/h4-7,9H,2-3,8H2,1H3,(H2,12,14,15)
InChIKeyYRCCRFUJHCYHSC-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.36
Rot. Bonds5

About 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide

4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide (PubChem CID 47291841) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
PubChem CID47291841
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S2/c1-13(8-9-2-3-9)19(16,17)11-6-4-10(5-7-11)18(12,14)15/h4-7,9H,2-3,8H2,1H3,(H2,12,14,15)
InChIKeyYRCCRFUJHCYHSC-UHFFFAOYSA-N
XLogP0.36
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844
4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
CID 60952032
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 55248102
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 62854746
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid
CID 54876183
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
2-amino-N-(cyclopropylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62145505
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide (CID 47291841) is 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide is CN(CC1CC1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide?
The InChIKey is YRCCRFUJHCYHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-13(8-9-2-3-9)19(16,17)11-6-4-10(5-7-11)18(12,14)15/h4-7,9H,2-3,8H2,1H3,(H2,12,14,15).
What are the key properties of 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide?
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide is sourced from PubChem (CID 47291841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).